N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide

C16H10ClF3N2O2 — CID 16907000

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2n1
InChIInChI=1S/C16H10ClF3N2O2/c1-8-2-5-13-12(21-8)7-14(24-13)15(23)22-11-6-9(16(18,19)20)3-4-10(11)17/h2-7H,1H3,(H,22,23)
InChIKeyIOMJFQMMSHKLDL-UHFFFAOYSA-N
MW354.72 g/mol
LogP5.06
Rot. Bonds2

About N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide (PubChem CID 16907000) has the molecular formula C16H10ClF3N2O2 and a molecular weight of 354.72 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide
PubChem CID16907000
Molecular FormulaC16H10ClF3N2O2
Molecular Weight354.72 g/mol
Exact Mass354.04
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2n1
InChIInChI=1S/C16H10ClF3N2O2/c1-8-2-5-13-12(21-8)7-14(24-13)15(23)22-11-6-9(16(18,19)20)3-4-10(11)17/h2-7H,1H3,(H,22,23)
InChIKeyIOMJFQMMSHKLDL-UHFFFAOYSA-N
XLogP5.06
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.72
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide (CID 16907000) is N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide is Cc1ccc2oc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2n1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide?
The InChIKey is IOMJFQMMSHKLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O2/c1-8-2-5-13-12(21-8)7-14(24-13)15(23)22-11-6-9(16(18,19)20)3-4-10(11)17/h2-7H,1H3,(H,22,23).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide has a molecular weight of 354.72 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuro[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 16907000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).